A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties

doi:10.1140/epjd/e2016-70071-3

CORC > 兰州理工大学 > 兰州理工大学 > 理学院

	A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties
	Li, Xing-Yu 1,2; Zhang, Cai-Rong 1,2; Yuan, Li-Hua 2; Zhang, Mei-Ling 2; Chen, Yu-Hong 1,2; Liu, Zi-Jiang 3
刊名	EUROPEAN PHYSICAL JOURNAL D
	2016-10-18
卷号	70 期号:10
ISSN号	1434-6060
DOI	10.1140/epjd/e2016-70071-3
英文摘要	Understanding the electronic structures and excitation properties of dye sensitizers has significant importance to improve the photon-energy conversion efficiency (PCE) of dye-sensitized solar cells (DSSCs). Here, based upon the results calculated using density functional theory, the electronic structures and excitation related properties of porphyrin dye sensitizers YD2-o-C8, SM315, and SM371 were analyzed. It was found that the similar electronic structures of YD2-o-C8 and SM371 result in similar absorption spectra, excitation, and free energy variation for electron injection (EI) and dye regeneration. However, since the electronic structure of the benzothiadiazole unit is well-coupled to that of the porphyrin ring, introducing benzothiadiazole into porphyrin dyes generates a decrease in the lowest unoccupied molecular orbital energy, red-shift and splitting of absorption bands. Meanwhile, remarkably it increases the transferred charges of excitation, which is responsible for the superior short-circuit current density of SM315 sensitized DSSCs. Furthermore, the transition configurations and molecular orbitals indicate the diarylamine group acts as an electronic donor, and the different EI modes with different timescales coexist in excited states due to the multi-configurations of transition. The results of structure-property relationships are favorable to develop novel dye sensitizers for DSSCs.
资助项目	National Natural Science Foundation of China[11164016]
WOS研究方向	Optics ; Physics
语种	英语
出版者	SPRINGER
WOS记录号	WOS:000398261700001
状态	已发表
内容类型	期刊论文
源URL	[http://119.78.100.223/handle/2XXMBERH/33567]
专题	理学院兰州理工大学
通讯作者	Zhang, Cai-Rong
作者单位	1.Lanzhou Univ Technol, State Key Lab Adv Proc & Recycling Non ferrous Me, Lanzhou 730050, Gansu, Peoples R China 2.Lanzhou Univ Technol, Dept Appl Phys, Lanzhou 730050, Gansu, Peoples R China 3.Lanzhou City Univ, Dept Phys, Lanzhou 730070, Peoples R China
推荐引用方式 GB/T 7714	Li, Xing-Yu,Zhang, Cai-Rong,Yuan, Li-Hua,et al. A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties[J]. EUROPEAN PHYSICAL JOURNAL D,2016,70(10).
APA	Li, Xing-Yu,Zhang, Cai-Rong,Yuan, Li-Hua,Zhang, Mei-Ling,Chen, Yu-Hong,&Liu, Zi-Jiang.(2016).A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties.EUROPEAN PHYSICAL JOURNAL D,70(10).
MLA	Li, Xing-Yu,et al."A comparative study of porphyrin dye sensitizers YD2-o-C8, SM315 and SM371 for solar cells: the electronic structures and excitation-related properties".EUROPEAN PHYSICAL JOURNAL D 70.10(2016).